NNZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N16 | C17 | sing | 1.47Å | 1.46Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | N26 | sing | 1.32Å | 1.34Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | N26 | doub | 1.32Å | 1.34Å | Aromatic |
| N26 | C27 | sing | 1.46Å | 1.47Å | |
| N16 | HN16 | sing | 1.01Å | 1.00Å | |
| N16 | HN1A | sing | 1.01Å | 1.00Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N16 | C17 | C18 | 112.0° | 109.5° |
| C17 | N16 | HN16 | 109.5° | 111.0° |
| C17 | N16 | HN1A | 109.5° | 111.0° |
| N16 | C17 | H17 | 108.6° | 109.5° |
| N16 | C17 | H17A | 108.7° | 109.4° |
| C17 | C18 | C22 | 120.2° | 119.6° |
| C17 | C18 | N26 | 119.3° | 119.6° |
| C18 | C17 | H17 | 108.6° | 109.5° |
| C18 | C17 | H17A | 108.6° | 109.5° |
| C22 | C18 | N26 | 120.6° | 120.8° |
| C18 | C22 | C23 | 119.4° | 119.1° |
| C18 | C22 | H22 | 120.3° | 120.5° |
| C18 | N26 | C25 | 120.9° | 121.7° |
| C18 | N26 | C27 | 119.7° | 119.2° |
| C22 | C23 | C24 | 119.0° | 118.5° |
| C23 | C22 | H22 | 120.3° | 120.4° |
| C22 | C23 | H23 | 120.5° | 120.8° |
| C23 | C24 | C25 | 119.1° | 119.1° |
| C24 | C23 | H23 | 120.5° | 120.8° |
| C23 | C24 | H24 | 120.4° | 120.4° |
| C24 | C25 | N26 | 121.1° | 120.8° |
| C25 | C24 | H24 | 120.5° | 120.5° |
| C24 | C25 | H25 | 119.5° | 119.6° |
| C25 | N26 | C27 | 119.4° | 119.1° |
| N26 | C25 | H25 | 119.5° | 119.7° |
| N26 | C27 | H27 | 109.5° | 109.5° |
| N26 | C27 | H27A | 109.5° | 109.5° |
| N26 | C27 | H27B | 109.5° | 109.5° |
| HN16 | N16 | HN1A | 109.5° | 111.0° |
| H17 | C17 | H17A | 110.3° | 109.5° |
| H27 | C27 | H27A | 109.5° | 109.4° |
| H27 | C27 | H27B | 109.5° | 109.4° |
| H27A | C27 | H27B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N16 | C17 | C18 | H17 | 120.0° | 120.0° |
| N16 | C17 | C18 | H17A | 120.0° | 119.9° |
| N16 | C17 | C18 | C22 | 83.3° | 94.6° |
| N16 | C17 | C18 | N26 | 96.9° | 85.2° |
| C17 | N16 | HN16 | HN1A | 120.0° | 123.9° |
| N16 | C17 | H17 | H17A | 119.0° | 120.0° |
| C17 | C18 | C22 | N26 | 179.8° | 179.8° |
| C17 | C18 | C22 | C23 | 179.7° | 180.0° |
| C17 | C18 | N26 | C25 | 179.8° | 179.7° |
| C17 | C18 | N26 | C27 | 0.0° | 0.1° |
| C18 | C17 | N16 | HN16 | 180.0° | 180.0° |
| C18 | C17 | N16 | HN1A | 60.0° | 56.1° |
| C18 | C17 | H17 | H17A | 119.0° | 120.0° |
| C17 | C18 | C22 | H22 | 0.4° | 0.0° |
| C18 | C22 | C23 | H22 | 180.0° | 180.0° |
| C18 | C22 | C23 | C24 | 0.8° | 0.0° |
| C22 | C18 | N26 | C25 | 0.0° | 0.5° |
| C22 | C18 | N26 | C27 | 179.8° | 179.7° |
| C22 | C18 | C17 | H17 | 36.7° | 145.4° |
| C22 | C18 | C17 | H17A | 156.7° | 25.4° |
| C18 | C22 | C23 | H23 | 179.2° | 180.0° |
| N26 | C18 | C22 | C23 | 0.5° | 0.2° |
| C18 | N26 | C25 | C24 | 0.2° | 0.6° |
| C18 | N26 | C25 | C27 | 179.8° | 179.7° |
| N26 | C18 | C17 | H17 | 143.1° | 34.8° |
| N26 | C18 | C17 | H17A | 23.1° | 154.8° |
| N26 | C18 | C22 | H22 | 179.5° | 179.8° |
| C18 | N26 | C25 | H25 | 179.8° | 179.7° |
| C18 | N26 | C27 | H27 | 180.0° | 84.5° |
| C18 | N26 | C27 | H27A | 60.0° | 155.5° |
| C18 | N26 | C27 | H27B | 60.0° | 35.5° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.6° | 0.0° |
| C22 | C23 | C24 | H24 | 179.4° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | N26 | 0.0° | 0.3° |
| C24 | C23 | C22 | H22 | 179.2° | 180.0° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| C24 | C25 | N26 | H25 | 180.0° | 179.7° |
| C24 | C25 | N26 | C27 | 180.0° | 179.7° |
| C25 | C24 | C23 | H23 | 179.5° | 180.0° |
| N26 | C25 | C24 | H24 | 179.9° | 179.7° |
| C25 | N26 | C27 | H27 | 0.2° | 95.2° |
| C25 | N26 | C27 | H27A | 119.8° | 24.7° |
| C25 | N26 | C27 | H27B | 120.2° | 144.8° |
| C27 | N26 | C25 | H25 | 0.0° | 0.0° |
| N26 | C27 | H27 | H27A | 120.0° | 120.0° |
| N26 | C27 | H27 | H27B | 120.0° | 120.0° |
| N26 | C27 | H27A | H27B | 120.0° | 120.1° |
| HN16 | N16 | C17 | H17 | 60.0° | 60.0° |
| HN16 | N16 | C17 | H17A | 60.0° | 60.1° |
| HN1A | N16 | C17 | H17 | 60.0° | 64.0° |
| HN1A | N16 | C17 | H17A | 180.0° | 176.0° |
| H22 | C22 | C23 | H23 | 0.8° | 0.0° |
| H23 | C23 | C24 | H24 | 0.5° | 0.0° |
| H24 | C24 | C25 | H25 | 0.1° | 0.0° |
| H27 | C27 | H27A | H27B | 120.0° | 119.9° |
